SCHEMBL8973583

SCHEMBL8973583

Nc1ccccc1-c1ccccc1/C=C/C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ CA4 P22748 1/20 0.55
▸ PTGER3 P43115 4/20 0.53
▸ PTGER2 P43116 4/20 0.53
▸ PTGER1 P34995 3/20 0.53
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ TNKS O95271 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9297750 0.89 NFKB1 (0.67) CA1CA2NFKB1CA4PTGER3
SCHEMBL613719 0.85 NFKB1 (0.62) CA1CA2NFKB1CA4PTGER3
SCHEMBL613718 0.85 NFKB1 (0.62) CA1CA2NFKB1CA4PTGER3
SCHEMBL30686188 0.85 NFKB1 (0.62) CA1CA2NFKB1CA4PTGER3
SCHEMBL1000978 0.85 NFKB1 (0.62) CA1CA2NFKB1CA4PTGER3
Hydrochloric Acid SCHEMBL28511355 0.83 NFKB1 (0.60) CA1CA2NFKB1CA4PTGER3
Hydrochloric Acid SCHEMBL27984871 0.83 NFKB1 (0.60) CA1CA2NFKB1CA4PTGER3
SCHEMBL8641080 0.80 NFKB1 (0.72) CA1CA2NFKB1CA4PTGER3
SCHEMBL3995371 0.80 CA1 (0.56) CA1CA2NFKB1CA4PTGER3
SCHEMBL29454389 0.80 PTGER3 (0.58) CA1CA2NFKB1CA4PTGER3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527824-A ADMINISTERING IN THE TREATMENT OF ASTHMA, PSORIASIS AND ALLERGIC CONDITIONS RIKER LABORATORIES, INC. (US) 1996-06-18 — — US disclosed
US-5498745-A ANTIALLERGEN INTERMEDIATES, INHIBITORS OF LEUKOTRIENES, LIPOXYGENASE INHIBITORS RIKER LABORATORIES, INC. (US) 1996-03-12 — — US disclosed
US-5495043-A ANTIALLERGENS RIKER LABORATORIES, INC. (US) 1996-02-27 — — US disclosed
US-5416113-A Bronchodilators RIKER LABORATORIES, INC. (US) 1995-05-16 — — US disclosed
US-5347036-A Antiallergens RIKER LABORATORIES, INC. (US) 1994-09-13 — — US disclosed
US-5237070-A Antiallergens, inhibiting bronchoconstriction RIKER LABORATORIES, INC. (US) 1993-08-17 — — US disclosed
EP-0212848-A2 Substituted-di-t-butylphenols RIKER LABORATORIES, INC. (US) 1987-03-04 — — EP disclosed
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